The present proposal is for computer time during the Fall 1991 PSC workshop on protein and DNA modeling. The PI of this proposal is interested in applying supercomputing to the modeling, structure elucidation and site of reaction prediction of the covalent adducts formed between the electrophilic metabolites of xenobiotics (environmentally, occupationally and pharmacologically encountered) and biomacromolecules of known molecular structure, e.e., hemoglobin, serum albumin, histones, and DNA. The computing strength of a supercomputer is required, as calculations (mechanics, semi-empirical, ab initio) will be performed on molecular systems of twenty to several thousand atoms.